4O5O
X-ray Crystal Structure of a 3-hydroxyacyl-CoA dehydrogenase from Brucella suis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-25 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.470, 92.240, 135.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.235 - 1.400 |
R-factor | 0.1373 |
Rwork | 0.136 |
R-free | 0.16870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.443 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.440 | |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.046 | 0.023 | 0.461 |
Number of reflections | 92937 | 1165 | 6433 |
<I/σ(I)> | 47.68 | 191.01 | 5.31 |
Completeness [%] | 98.7 | 99.5 | 93.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.4 uL protein at 19.86 mg/mL + 0.4 uL JCSG+ D5 - 0.1 M HEPES pH 7.50, 70% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 289K |